2-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-oxazole

C8H10N2O — CID 45091706

IUPAC2-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-oxazole
SMILESC1=C(c2ncco2)CNCC1
InChIInChI=1S/C8H10N2O/c1-2-7(6-9-3-1)8-10-4-5-11-8/h2,4-5,9H,1,3,6H2
InChIKeyWLLBLEURTOIHAI-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.05
Rot. Bonds1

About 2-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-oxazole

2-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-oxazole (PubChem CID 45091706) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 2-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-oxazole
PubChem CID45091706
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name2-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-oxazole
SMILESC1=C(c2ncco2)CNCC1
InChIInChI=1S/C8H10N2O/c1-2-7(6-9-3-1)8-10-4-5-11-8/h2,4-5,9H,1,3,6H2
InChIKeyWLLBLEURTOIHAI-UHFFFAOYSA-N
XLogP1.05
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 19018537
CID 19018537
CID 178101005
CID 178101005
CID 129809016
CID 129809016
CID 178101006
CID 178101006
CID 19018536
CID 19018536
CID 19612517
CID 19612517
CID 21132588
CID 21132588
CID 53416081
CID 53416081
CID 54089363
CID 54089363
CID 54520983
CID 54520983
CID 57011498
CID 57011498
CID 57025348
CID 57025348

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-oxazole?
The IUPAC name of 2-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-oxazole (CID 45091706) is 2-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-oxazole.
What is the SMILES notation for 2-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-oxazole?
The canonical SMILES for 2-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-oxazole is C1=C(c2ncco2)CNCC1.
What is the InChIKey of 2-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-oxazole?
The InChIKey is WLLBLEURTOIHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c1-2-7(6-9-3-1)8-10-4-5-11-8/h2,4-5,9H,1,3,6H2.
What are the key properties of 2-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-oxazole?
2-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-oxazole has a molecular weight of 150.18 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-oxazole is sourced from PubChem (CID 45091706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).